Task 38598909
| Name | p38_A27_A14_r0_4-QUICO_ATM_GAFF2_NAGL_p38-1-6-RND8558_0 |
| Workunit | 31553934 |
| Created | 8 Apr 2026, 13:11:55 UTC |
| Sent | 8 Apr 2026, 13:12:21 UTC |
| Report deadline | 13 Apr 2026, 13:12:21 UTC |
| Received | 8 Apr 2026, 15:13:00 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 636680 |
| Run time | 35 min 54 sec |
| CPU time | 34 min 23 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 7,972.67 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 639.34 MB |
| Peak swap size | 8.19 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Le syst�me d�exploitation ne peut pas ex�cuter (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
16:35:29 (5480): wrapper (7.9.26016): starting
16:35:29 (5480): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A14_0.pdb
QB_A27_A14_0.xml
QB_A27_A14.inpcrd
QB_A27_A14_input.yaml
QB_A27_A14.pdb
QB_A27_A14.prmtop
QB_A27_A14_sys.xml
run.bat
run.sh
16:35:45 (5480): Library/usr/bin/tar.exe exited; CPU time 0.046875
16:35:45 (5480): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'F:\Boinc\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'F:\Boinc\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "F:\Boinc\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "F:\Boinc\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "F:\Boinc\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "F:\Boinc\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "F:\Boinc\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "F:\Boinc\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "F:\Boinc\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "F:\Boinc\slots\0\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
17:11:05 (5480): C:/Windows/system32/cmd.exe exited; CPU time 2063.078125
17:11:05 (5480): app exit status: 0x16
17:11:05 (5480): called boinc_finish(195)
0 bytes in 0 Free Blocks.
380 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 49537893 bytes.
Dumping objects ->
{3835287} normal block at 0x000001C0F98ED500, 48 bytes long.
Data: <PATH=F:\Boinc\sl> 50 41 54 48 3D 46 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835276} normal block at 0x000001C0F99855D0, 32 bytes long.
Data: <HOME=F:\Boinc\sl> 48 4F 4D 45 3D 46 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835265} normal block at 0x000001C0F9985030, 32 bytes long.
Data: <TMP=F:\Boinc\slo> 54 4D 50 3D 46 3A 5C 42 6F 69 6E 63 5C 73 6C 6F
{3835254} normal block at 0x000001C0F99857B0, 32 bytes long.
Data: <TEMP=F:\Boinc\sl> 54 45 4D 50 3D 46 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835243} normal block at 0x000001C0F9985570, 32 bytes long.
Data: <TMPDIR=F:\Boinc\> 54 4D 50 44 49 52 3D 46 3A 5C 42 6F 69 6E 63 5C
{3835212} normal block at 0x000001C0F7AF49C0, 48 bytes long.
Data: <PATH=F:\Boinc\sl> 50 41 54 48 3D 46 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835201} normal block at 0x000001C0F994FD60, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835198} normal block at 0x000001C0F7AEE5E0, 8 bytes long.
Data: < ÿ÷À > 00 00 FF F7 C0 01 00 00
{3834572} normal block at 0x000001C0F994F260, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x000001C0F7AEE090, 8 bytes long.
Data: < Ü­÷À > 90 DC AD F7 C0 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001C0F7AE0E00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001C0F7AE20E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000001C0F7AF6770, 16 bytes long.
Data: <Ør¯÷À > D8 72 AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001C0F7AF6E00, 16 bytes long.
Data: <°r¯÷À > B0 72 AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001C0F7AEFE30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000001C0F7AF6720, 16 bytes long.
Data: < r¯÷À > 88 72 AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C0F7AF6DB0, 16 bytes long.
Data: <`r¯÷À > 60 72 AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C0F7AF6680, 16 bytes long.
Data: <8r¯÷À > 38 72 AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C0F7AF6630, 16 bytes long.
Data: < r¯÷À > 10 72 AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C0F7AF4640, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000001C0F7AF60E0, 16 bytes long.
Data: <È ®÷À > C8 0C AE F7 C0 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C0F7AF0790, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000001C0F7AF64F0, 16 bytes long.
Data: <  ®÷À > A0 0C AE F7 C0 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C0F7AF66D0, 16 bytes long.
Data: <x ®÷À > 78 0C AE F7 C0 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C0F7AF6D10, 16 bytes long.
Data: <P ®÷À > 50 0C AE F7 C0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C0F7AF6310, 16 bytes long.
Data: <( ®÷À > 28 0C AE F7 C0 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C0F7AF64A0, 16 bytes long.
Data: < ®÷À > 00 0C AE F7 C0 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C0F7AF6CC0, 16 bytes long.
Data: <Ø ®÷À > D8 0B AE F7 C0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C0F7AF00D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000001C0F7AF6180, 16 bytes long.
Data: <° ®÷À > B0 0B AE F7 C0 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C0F7AE0BB0, 320 bytes long.
Data: < a¯÷À Ð ¯÷À > 80 61 AF F7 C0 01 00 00 D0 00 AF F7 C0 01 00 00
{278} normal block at 0x000001C0F7AF69F0, 16 bytes long.
Data: <ðq¯÷À > F0 71 AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C0F7AF6C70, 16 bytes long.
Data: <Èq¯÷À > C8 71 AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C0F7AEFEF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000001C0F7AF6810, 16 bytes long.
Data: < q¯÷À > A0 71 AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C0F7AF0190, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000001C0F7AF6C20, 16 bytes long.
Data: <èp¯÷À > E8 70 AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C0F7AF65E0, 16 bytes long.
Data: <Àp¯÷À > C0 70 AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C0F7AF6BD0, 16 bytes long.
Data: < p¯÷À > 98 70 AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C0F7AF6540, 16 bytes long.
Data: <pp¯÷À > 70 70 AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C0F7AF6450, 16 bytes long.
Data: <Hp¯÷À > 48 70 AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C0F7AF6590, 16 bytes long.
Data: < p¯÷À > 20 70 AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C0F7AF6220, 16 bytes long.
Data: < C¯÷À > A0 43 AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C0F7AF43A0, 40 bytes long.
Data: < b¯÷À ÀI¯÷À > 20 62 AF F7 C0 01 00 00 C0 49 AF F7 C0 01 00 00
{264} normal block at 0x000001C0F7AF6860, 16 bytes long.
Data: < p¯÷À > 00 70 AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C0F7AF67C0, 16 bytes long.
Data: <Øo¯÷À > D8 6F AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C0F7AF0670, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000001C0F7AF6D60, 16 bytes long.
Data: <°o¯÷À > B0 6F AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C0F7AF6FB0, 992 bytes long.
Data: <`m¯÷À p ¯÷À > 60 6D AF F7 C0 01 00 00 70 06 AF F7 C0 01 00 00
{96} normal block at 0x000001C0F7AEFCB0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000001C0F7AEDBE0, 16 bytes long.
Data: <ÐE¯÷À > D0 45 AF F7 C0 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000001C0F7AF45D0, 40 bytes long.
Data: <àÛ®÷À °ü®÷À > E0 DB AE F7 C0 01 00 00 B0 FC AE F7 C0 01 00 00
{73} normal block at 0x000001C0F7AEE040, 16 bytes long.
Data: < êŒ$ö > 80 EA 8C 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001C0F7AEDE10, 16 bytes long.
Data: <@éŒ$ö > 40 E9 8C 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001C0F7AEDA50, 16 bytes long.
Data: <øW‰$ö > F8 57 89 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C0F7AEE6D0, 16 bytes long.
Data: <ØW‰$ö > D8 57 89 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C0F7AEDA00, 16 bytes long.
Data: <P ‰$ö > 50 04 89 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C0F7AED9B0, 16 bytes long.
Data: <0 ‰$ö > 30 04 89 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C0F7AEE2C0, 16 bytes long.
Data: <à ‰$ö > E0 02 89 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C0F7AEDDC0, 16 bytes long.
Data: < ‰$ö > 10 04 89 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C0F7AED960, 16 bytes long.
Data: <p ‰$ö > 70 04 89 24 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C0F7AEE770, 16 bytes long.
Data: < À‡$ö > 18 C0 87 24 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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